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Sugi Predict / Compounds / SCHEMBL8552575

SCHEMBL8552575

SCHEMBL8552575

CCCCN(C(C)=O)c1ccc2c(c1)c(-c1ccccc1OC)c(OC(=O)OCC)n2Cc1ccc2nsnc2c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EDNRB P24530 5/20 0.40
▸ EDNRA P25101 2/20 0.38
▸ AGTR2 P50052 3/20 0.34
▸ AGTR1 P30556 3/20 0.34
▸ TSPO P30536 1/20 0.32
▸ FPR1 P21462 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8552857 0.94 EDNRB (0.40) EDNRBEDNRAAGTR2AGTR1TSPO
SCHEMBL8550816 0.92 EDNRB (0.43) EDNRBEDNRAAGTR2AGTR1
SCHEMBL8551757 0.92 EDNRB (0.44) EDNRBEDNRAAGTR2
SCHEMBL8553553 0.92 EDNRB (0.36) EDNRBEDNRAAGTR2AGTR1
SCHEMBL8552691 0.90 EDNRB (0.43) EDNRBEDNRAAGTR2AGTR1
SCHEMBL8548743 0.88 EDNRB (0.52) EDNRBEDNRAAGTR2
SCHEMBL8549919 0.87 EDNRB (0.43) EDNRBEDNRAAGTR2AGTR1
SCHEMBL8550814 0.87 EDNRB (0.53) EDNRBEDNRAAGTR2AGTR1
SCHEMBL8624245 0.86 EDNRB (0.43) EDNRBEDNRAAGTR2AGTR1
SCHEMBL8552637 0.86 EDNRB (0.44) EDNRBEDNRA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863898-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 1998-09-16 — — EP disclosed
WO-1997019077-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-05-29 — — WO disclosed